1-[(3-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(3-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0054 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.29 |
| Molecular Formula: | C19 H18 Br N5 O3 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Br])C(c2c1nc(NCc1ccco1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5701 |
| logD: | 3.5683 |
| logSw: | -3.7528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.639 |
| InChI Key: | LNLWKCFWAXIQEF-UHFFFAOYSA-N |